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| IUPAC name : | prop-2-enyl propanoate |
| InChI : | InChI=1/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3 |
| InChIKey : | XRFWKHVQMACVTA-UHFFFAOYAU |
| SMILES : | CCC(=O)OCC=C |
| cas number : | 2408-20-0 |
| (EINECS) number : | 219-307-8 |
| fema number : | 2040 |
| coe number : | 2094 |
| jecfa number : | 1 |
| fl. number : | 09.233 |
| molar refractivity : | 31.34 ± 0.3 cm3 |
| parachor : | 284.5 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 25.9 ± 3.0 dyne/cm |
| density : | 0.904 ± 0.06 g/cm3 |
| polarizability : | 12.42 ± 0.5 10-24cm3 |
| XlogP : | 1.10 |
| XlogP3-AA : | 1.20 |
| molecular weight : | 114.1424000 (IUPAC) |
| formula : | C6 H10 O2 |
| BioActivity Analysis : | 73454 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.50.3000 |
| fda reg : | 172.515 |
Suppliers :
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| Frutarom : | ALLYL PROPIONATE
≥99.00%, Kosher Odor: Apple, Apricot, Fruity, Ripe, Tropical Suggested Uses: Apple, Apricot, Pineapple, Tropical Fruits |
| Inoue : | ALLYL PROPIONATE
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| Penta : | allyl propionate
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| SAFC Global® : | Allyl propionate
≥99%, Kosher Odor: apple; apricot; ethereal |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | apricot apple fruity ripe tropical |
odor description:
| Etherial, sharp, acrylate-like with an alliaceous nuance, overripe and tropical Mosciano, Gerard P&F 20, No. 3, 63, (1995) |
taste description: at 10.00 ppm. | Pungent, sharp, alliaceous, acrylate-like with a tropical depth Mosciano, Gerard P&F 20, No. 3, 63, (1995) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91200 to 0.91800 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.598 to 7.648
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| refractive index : | 1.40700 to 1.41300 @ 20.00 °C.
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| boiling point : | 121.00 to 122.00 °C. @ 760.00 mm Hg
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| flash point : | 103.00 °F. TCC ( 39.44 °C. )
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| logP (o/w) : | 1.71 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 10 - Flammable. R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl propionate fragrance usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for allyl propionate flavor usage levels up to : |
| | 15.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : Allyl esters ) |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
| WISER : | UN 3272 |
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| WGK Germany : | 3 |
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| | prop-2-enyl propanoate |
| (EINECS) number : | 219-307-8 |
| chemidplus : | 002408200 |
| EPA Substance Registry Services : | 2408-20-0 |
| dtp/nci : | 7620 |
references :
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| | prop-2-enyl propanoate |
| fl. number : | 09.233 |
| jecfa number : | 1 |
| NIST Chemistry WebBook : | 2112970810 |
| pubchem : | 197588 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |